![7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/351/351160-74-2.png)
7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 351160-74-2) is a chemical compound with molecular formula C21H24N2OS2 and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-3-(4-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 7-(tert-butyl)-3-(4-methylphenyl)-2-thioxo-1,3,5,6,7,8-hexahydrobenzo[b]thioph eno[2,3-d]pyrimidin-4-one, 7-(tert-butyl)-3-(4-methylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 7-tert-butyl-3-(4-methylphenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 7-tert-butyl-3-(4-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H24N2OS2 |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 5.56921 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.133 |
| Heavy Atoms | 26 |
| Complexity | 1094.4623 |
Chemical Identifiers
| CAS Number | 351160-74-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCC(C4)C(C)(C)C |
Product Overview
7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 351160-74-2), with molecular formula C21H24N2OS2 and molecular weight 384.13 g/mol. IUPAC: 7-tert-butyl-3-(4-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 5.56921 indicates that 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 351160-74-2.
What is the molecular formula of 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one is C21H24N2OS2.
What is the molecular weight of 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 384.13 g/mol.
Where can I buy 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(tert-butyl)-2-thioxo-3-(p-tolyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.